(2S)-2-(phenylsulfonylamino)-3-[[4-[2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)ethoxy]phenyl]methylamino]propanoic acid

Systemtic Name: (2S)-2-(phenylsulfonylamino)-3-[[4-[2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)ethoxy]phenyl]methylamino]propanoic acid Openeye Name: (2S)-2-(benzenesulfonamido)-3-[[4-[2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)ethoxy]phenyl]methylamino]propanoic acid CAS Name: (2S)-2-(benzenesulfonamido)-3-[[4-[2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)ethoxy]phenyl]methylamino]propanoic acid IUPAC Name: (2S)-2-(benzenesulfonamido)-3-[[4-[2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)ethoxy]phenyl]methylamino]propanoic acid Traditional Name: (2S)-2-(benzenesulfonamido)-3-[[4-[2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)ethoxy]benzyl]amino]propionic acid Formula: C22H29N5O5S MolecularWeight: 475.56116

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Descriptors Computed from Structure

Canonical SMILES:

C1CNC(=NC1)NCCOC2=CC=C(C=C2)CNCC(C(=O)O)NS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C1CNC(=NC1)NCCOC2=CC=C(C=C2)CNC[C@@H](C(=O)O)NS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H29N5O5S/c28-21(29)20(27-33(30,31)19-5-2-1-3-6-19)16-23-15-17-7-9-18(10-8-17)32-14-13-26-22-24-11-4-12-25-22/h1-3,5-10,20,23,27H,4,11-16H2,(H,28,29)(H2,24,25,26)/t20-/m0/s1